5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide

C13H20N6O — CID 82546172

IUPAC5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C13H20N6O/c1-8-10(9(2)18(3)17-8)5-6-15-13(20)11-7-16-19(4)12(11)14/h7H,5-6,14H2,1-4H3,(H,15,20)
InChIKeyOJEQPBVPZHQGHF-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.33
Rot. Bonds4

About 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide

5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 82546172) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
PubChem CID82546172
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1CCNC(=O)c1cnn(C)c1N
InChIInChI=1S/C13H20N6O/c1-8-10(9(2)18(3)17-8)5-6-15-13(20)11-7-16-19(4)12(11)14/h7H,5-6,14H2,1-4H3,(H,15,20)
InChIKeyOJEQPBVPZHQGHF-UHFFFAOYSA-N
XLogP0.33
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
5-amino-1-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 115330998
5-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 115330468
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
2-ethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 86847550
4-amino-5-chloro-2-methoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119731680
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide (CID 82546172) is 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1CCNC(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is OJEQPBVPZHQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8-10(9(2)18(3)17-8)5-6-15-13(20)11-7-16-19(4)12(11)14/h7H,5-6,14H2,1-4H3,(H,15,20).
What are the key properties of 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide?
5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 82546172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).